# generated using pymatgen
data_NaB4Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56981971
_cell_length_b   7.56981971
_cell_length_c   8.29235313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.90062180
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB4Ir3
_chemical_formula_sum   'Na4 B16 Ir12'
_cell_volume   470.65950746
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.00330462  0.99669538  0.50000000  1.0
  Na  Na1  1  0.50330462  0.49669538  0.50000000  1.0
  Na  Na2  1  0.13797840  0.36202160  0.84892801  1.0
  Na  Na3  1  0.63797840  0.86202160  0.15107199  1.0
  B  B4  1  0.15575032  0.15118976  0.18932266  1.0
  B  B5  1  0.84881024  0.84424968  0.81067734  1.0
  B  B6  1  0.65575032  0.65118976  0.81067734  1.0
  B  B7  1  0.34881024  0.34424968  0.18932266  1.0
  B  B8  1  0.91292209  0.40769590  0.50013167  1.0
  B  B9  1  0.59230410  0.08707791  0.49986833  1.0
  B  B10  1  0.09230410  0.58707791  0.50013167  1.0
  B  B11  1  0.41292209  0.90769590  0.49986833  1.0
  B  B12  1  0.21535515  0.94155820  0.16323338  1.0
  B  B13  1  0.05844180  0.78464485  0.83676662  1.0
  B  B14  1  0.44598250  0.71156976  0.83667819  1.0
  B  B15  1  0.28843024  0.55401750  0.16332181  1.0
  B  B16  1  0.78843024  0.05401750  0.83667819  1.0
  B  B17  1  0.94598250  0.21156976  0.16332181  1.0
  B  B18  1  0.55844180  0.28464485  0.16323338  1.0
  B  B19  1  0.71535515  0.44155820  0.83676662  1.0
  Ir  Ir20  1  0.11185220  0.38814780  0.31271294  1.0
  Ir  Ir21  1  0.61185220  0.88814780  0.68728706  1.0
  Ir  Ir22  1  0.89273005  0.60726995  0.68725051  1.0
  Ir  Ir23  1  0.39273005  0.10726995  0.31274949  1.0
  Ir  Ir24  1  0.75227143  0.24772857  0.00000000  1.0
  Ir  Ir25  1  0.25227143  0.74772857  0.00000000  1.0
  Ir  Ir26  1  0.00253721  0.99746279  0.00000000  1.0
  Ir  Ir27  1  0.50253721  0.49746279  0.00000000  1.0
  Ir  Ir28  1  0.75229019  0.24796053  0.66493666  1.0
  Ir  Ir29  1  0.75203947  0.24770981  0.33506334  1.0
  Ir  Ir30  1  0.25229019  0.74796053  0.33506334  1.0
  Ir  Ir31  1  0.25203947  0.74770981  0.66493666  1.0